ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000749
RECORD_TITLE: 2,5,7-TRIHYDROXY-1,4-NAPHTHOQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2,5,7-TRIHYDROXY-1,4-NAPHTHOQUINONE
CH$NAME: FLAVIOLIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₆O₅
CH$EXACT_MASS: 206.02152
CH$SMILES: Oc(c2)cc(c(=O)1)c(c(O)2)c(=O)cc(O)1
CH$IUPAC: InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H
CH$LINK: INCHIKEY RROPNRTUMVVUED-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9750000000-e30fdde7df39448f8877
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  39 11 110
  41 8 80
  42 4 40
  43 0.5 5
  50 10 100
  51 12 120
  52 8 80
  53 1.2 12
  54 2 20
  55 9 90
  61 5 50
  62 0.6 6
  63 7 70
  64 2 20
  65 8 80
  66 0.7 7
  67 2 20
  68 2 20
  69 36 360
  70 0.2 2
  75 12 120
  76 5 50
  77 6 60
  79 0.7 7
  80 2 20
  81 7 70
  82 1 10
  88 0.1 1
  89 6 60
  90 2 20
  92 1 10
  93 0.2 2
  94 3 30
  103 1 10
  104 2 20
  105 0.1 1
  108 12 120
  109 11 110
  110 1 10
  120 0.8 8
  121 9 90
  122 1 10
  135 1 10
  136 1.3 13
  137 45 450
  138 6 60
  139 1 10
  149 1.1 11
  150 19 190
  151 2 20
  178 35 350
  179 0.5 5
  180 1 10
  206 99.99 999
  207 15 150
//